BDBM50170825 CHEMBL191522::N*6*-Cyclobutyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine

SMILES: C1CC(C1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12

InChI Key: InChIKey=ATQMYSVYZWCLGV-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170825   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170825 (CHEMBL191522 | N*6*-Cyclobutyl-N*2*-(4-morpholin-4...) Show SMILES C1CC(C1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C19H23N7O/c1-2-13(3-1)22-18-16-17(21-12-20-16)24-19(25-18)23-14-4-6-15(7-5-14)26-8-10-27-11-9-26/h4-7,12-13H,1-3,8-11H2,(H3,20,21,22,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair